3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H19N3S2 — CID 23884154

IUPAC3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\C(C)C)cc1
InChIInChI=1S/C18H19N3S2/c1-13(2)20-18-21(16(12-23-18)17-5-4-10-22-17)19-11-15-8-6-14(3)7-9-15/h4-13H,1-3H3/b19-11?,20-18-
InChIKeyHVAHLIKOJWVEIN-UOANZAOFSA-N
MW341.51 g/mol
LogP4.78
Rot. Bonds4

About 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23884154) has the molecular formula C18H19N3S2 and a molecular weight of 341.51 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23884154
Molecular FormulaC18H19N3S2
Molecular Weight341.51 g/mol
Exact Mass341.10
IUPAC Name3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\C(C)C)cc1
InChIInChI=1S/C18H19N3S2/c1-13(2)20-18-21(16(12-23-18)17-5-4-10-22-17)19-11-15-8-6-14(3)7-9-15/h4-13H,1-3H3/b19-11?,20-18-
InChIKeyHVAHLIKOJWVEIN-UOANZAOFSA-N
XLogP4.78
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23937398
4-(3,4-dichlorophenyl)-N-propan-2-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23770083
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360
(E)-4-(2-bromophenyl)-N-propan-2-yl-3-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905400
(E)-N-methyl-4-(4-methylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904796
4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23910735
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23820197
4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135591982
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884932
2-bromo-6-methoxy-4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838830
3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23912172

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23884154) is 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is Cc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\C(C)C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is HVAHLIKOJWVEIN-UOANZAOFSA-N. The full InChI is InChI=1S/C18H19N3S2/c1-13(2)20-18-21(16(12-23-18)17-5-4-10-22-17)19-11-15-8-6-14(3)7-9-15/h4-13H,1-3H3/b19-11?,20-18-.
What are the key properties of 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 341.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23884154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).